4-乙基吗啉与 4-氧代-4-对甲苯丁酸的加合物 基本信息
| 中文名称 | 4-乙基吗啉与 4-氧代-4-对甲苯丁酸的加合物 |
|---|---|
| 中文同义词 | 4-甲基-Γ-羰基-苯基丁酸-1/2乙基吗啉盐;4-乙基吗啉与 4-氧代-4-对甲苯丁酸的加合物;4-乙基吗啉双(4-氧代-4-(对甲苯)丁酸酯);4-甲基-Γ-羰基-苯基丁酸乙基吗啉盐;4-甲基-Γ-羰基-苯基丁酸乙基吗啉盐(IRGACOR 1405);4-乙基吗啉双4-氧代-4-对甲苯丁酸盐;4-乙基吗啉4-氧代-4-(对甲苯基)丁酸酯 |
| 英文名称 | IRGACOR 1405 |
| 英文同义词 | N-ETHYLMORPHOLINE CMPD WITH 3-(4-METHYLBENZOYL)PROPANOIC ACID (1:2);Benzenebutanoic acid, 4-methyl-.gamma.-oxo-, compd. with 4-ethylmorpholine (2:1);Benzenebutanoic acid, 4-methyl-gamma-oxo, compound with 4- ethylmorpholine (2:1);4-Oxo-4-para-tolylbutyric acid 2:1 adduct with 4-ethylmorpholine;4-Ethylmorpholine bis(4-methyl-gamma-oxobenzenebutanoate);IRGACOR 1405;4-EthylMorpholine bis(4-oxo-4-(p-tolyl)butanoate);4-(4-Methylphenyl)-4-oxobutanoic acid - 4-ethylmorpholine (2:1) |
| CAS号 | 171054-89-0 |
| 分子式 | C28H37NO7 |
| 分子量 | 499.6 |
| EINECS号 | 419-240-6 |
| 相关类别 | 有机中间体;原料药;化工中间体 |
| Mol文件 | 171054-89-0.mol |
| 结构式 |  |
4-乙基吗啉与 4-氧代-4-对甲苯丁酸的加合物 性质
| 密度 | 1.24[at 20℃] |
|---|---|
| 蒸气压 | 0Pa at 25℃ |
| 酸度系数(pKa) | 4.22[at 20 ℃] |
| 水溶解性 | 59.7g/L at 20℃ |
| InChI | InChI=1S/2C11H12O3.C6H13NO/c2*1-8-2-4-9(5-3-8)10(12)6-7-11(13)14;1-2-7-3-5-8-6-4-7/h2*2-5H,6-7H2,1H3,(H,13,14);2-6H2,1H3 |
| InChIKey | LTDBNNIHGJYJQO-UHFFFAOYSA-N |
| SMILES | C1(=CC=C(C)C=C1)C(=O)CCC(=O)O.C1(C(=O)CCC(=O)O)C=CC(C)=CC=1.N1(CC)CCOCC1 |
| LogP | 0.154 at 22℃ |
| EPA化学物质信息 | Benzenebutanoic acid, 4-methyl-.gamma.-oxo-, compd. with 4-ethylmorpholine (2:1) (171054-89-0) |